From aa8f9f6502054bc3d20385e7c360a5b09a6741e3 Mon Sep 17 00:00:00 2001 From: Joost VandeVondele Date: Sun, 22 Sep 2013 11:16:09 +0000 Subject: [PATCH] use size specific stacks by default svn-origin-rev: 13155 --- src/dbcsr_lib/dbcsr_config.F | 12 ++++++------ tests/QS/regtest-dm-ls-scf/TEST_FILES | 12 ++++++------ tests/QS/regtest-hfx/TEST_FILES | 6 +++--- tests/SCP/regtest-scp/TEST_FILES | 2 +- tests/SE/regtest-3-3/TEST_FILES | 2 +- tests/SE/regtest/TEST_FILES | 2 +- 6 files changed, 18 insertions(+), 18 deletions(-) diff --git a/src/dbcsr_lib/dbcsr_config.F b/src/dbcsr_lib/dbcsr_config.F index 07f3fda7cc..cd49774782 100644 --- a/src/dbcsr_lib/dbcsr_config.F +++ b/src/dbcsr_lib/dbcsr_config.F @@ -157,9 +157,9 @@ MODULE dbcsr_config INTEGER, SAVE :: mm_stack_size = 1000 ! Number of stacks to use - INTEGER, SAVE :: nm_stacks = 0 - INTEGER, SAVE :: nn_stacks = 0 - INTEGER, SAVE :: nk_stacks = 0 + INTEGER, SAVE :: nm_stacks = 3 + INTEGER, SAVE :: nn_stacks = 3 + INTEGER, SAVE :: nk_stacks = 3 INTEGER, SAVE :: nstackbuffers = 1 ! Configuration of an MPI progress thread @@ -190,9 +190,9 @@ CONTAINS !defaults mm_stack_size = 1000 - nm_stacks = 0 - nn_stacks = 0 - nk_stacks = 0 + nm_stacks = 3 + nn_stacks = 3 + nk_stacks = 3 nstackbuffers = 0 IF(has_smm_vec) THEN diff --git a/tests/QS/regtest-dm-ls-scf/TEST_FILES b/tests/QS/regtest-dm-ls-scf/TEST_FILES index 818c20a70a..54ae81ee53 100644 --- a/tests/QS/regtest-dm-ls-scf/TEST_FILES +++ b/tests/QS/regtest-dm-ls-scf/TEST_FILES @@ -21,12 +21,12 @@ ace_ala_nme_pm6_03.inp 11 ace_ala_nme_pm6_04.inp 11 ace_ala_nme_pm6_05.inp 11 ace_ala_nme_pm6_06.inp 11 -ace_ala_nme_pm6_07.inp 11 -ace_ala_nme_pm6_08.inp 11 -ace_ala_nme_pm6_09.inp 11 -ace_ala_nme_pm6_10.inp 11 -ace_ala_nme_pm6_11.inp 11 -ace_ala_nme_pm6_12.inp 11 +ace_ala_nme_pm6_07.inp 11 3e-08 +ace_ala_nme_pm6_08.inp 11 3e-08 +ace_ala_nme_pm6_09.inp 11 3e-08 +ace_ala_nme_pm6_10.inp 11 1e-07 +ace_ala_nme_pm6_11.inp 11 1e-07 +ace_ala_nme_pm6_12.inp 11 1e-07 H2O-32-dftb-trs4.inp 11 H2O-32-dftb-ls-5.inp 11 H2O-32-dftb-ls-6.inp 11 diff --git a/tests/QS/regtest-hfx/TEST_FILES b/tests/QS/regtest-hfx/TEST_FILES index 0f0ebcbfb8..113db66e81 100644 --- a/tests/QS/regtest-hfx/TEST_FILES +++ b/tests/QS/regtest-hfx/TEST_FILES @@ -7,9 +7,9 @@ H2O-hfx-3.inp 1 3e-14 CH-hfx-md.inp 2 5e-12 CH-hfx-md-2.inp 2 5e-12 H2O_pw.inp 22 -4H2O-disk.inp 1 -4H2O-mix-disk-ram.inp 1 -4H2O-mix-disk-ram-on-the-fly.inp 1 +4H2O-disk.inp 1 5e-14 +4H2O-mix-disk-ram.inp 1 5e-14 +4H2O-mix-disk-ram-on-the-fly.inp 1 5e-14 H2O-geminal-1.inp 1 He-ri.inp 1 H2O-hfx-emd.inp 2 diff --git a/tests/SCP/regtest-scp/TEST_FILES b/tests/SCP/regtest-scp/TEST_FILES index ab77f5f1cf..4d691fe11b 100644 --- a/tests/SCP/regtest-scp/TEST_FILES +++ b/tests/SCP/regtest-scp/TEST_FILES @@ -10,7 +10,7 @@ monomer-r2.inp 1 monomer-r3.inp 1 # SCP test dimer w2.inp 1 2e-13 -w2-r1.inp 1 2e-11 +w2-r1.inp 1 2e-10 w2-r2.inp 1 1E-10 # SCP test argon argon1.inp 1 diff --git a/tests/SE/regtest-3-3/TEST_FILES b/tests/SE/regtest-3-3/TEST_FILES index ec806ab711..e1bf8e3249 100644 --- a/tests/SE/regtest-3-3/TEST_FILES +++ b/tests/SE/regtest-3-3/TEST_FILES @@ -4,7 +4,7 @@ wfn_ex2.inp 3 wfn_ex3.inp 3 wfn_ex4.inp 3 # EWALD with LSD -H2O-4.inp 3 5e-14 +H2O-4.inp 3 4e-13 # NDDO Stress tensor LiH.inp 31 # PERIODIC NDDO diff --git a/tests/SE/regtest/TEST_FILES b/tests/SE/regtest/TEST_FILES index 6d1c95ef12..64f3b48d6f 100644 --- a/tests/SE/regtest/TEST_FILES +++ b/tests/SE/regtest/TEST_FILES @@ -41,7 +41,7 @@ tio.inp 3 H2O-MNDO-si.inp 3 H2O-MNDO-si-nc.inp 3 # SCP NDDO -dimer.inp 3 +dimer.inp 3 7e-14 dimer2.inp 3 dimer3.inp 3 3e-13 dimer4.inp 3 4e-14